(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone

C21H23NO — CID 171943246

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone
SMILESCN1C2CCC1CC(C(=O)c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C21H23NO/c1-22-17-11-12-18(22)14-16(13-17)21(23)20-10-6-5-9-19(20)15-7-3-2-4-8-15/h2-10,16-18H,11-14H2,1H3
InChIKeyGWWSFRUBKUDIBX-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.41
Rot. Bonds3

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone (PubChem CID 171943246) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone
PubChem CID171943246
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone
SMILESCN1C2CCC1CC(C(=O)c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C21H23NO/c1-22-17-11-12-18(22)14-16(13-17)21(23)20-10-6-5-9-19(20)15-7-3-2-4-8-15/h2-10,16-18H,11-14H2,1H3
InChIKeyGWWSFRUBKUDIBX-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
CID 115997804
(2-phenylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171943252
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947804
(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171944994
9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone
CID 171943255
(2-phenylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943261
9H-fluoren-9-ylmethyl 3-(2-phenylbenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171943259
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-phenylphenyl)methanone
CID 171943266
[2-fluoro-3-(trifluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171949560
(2,3-difluoro-4-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107512751
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947798

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone (CID 171943246) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone is CN1C2CCC1CC(C(=O)c1ccccc1-c1ccccc1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone?
The InChIKey is GWWSFRUBKUDIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-22-17-11-12-18(22)14-16(13-17)21(23)20-10-6-5-9-19(20)15-7-3-2-4-8-15/h2-10,16-18H,11-14H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone has a molecular weight of 305.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone is sourced from PubChem (CID 171943246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).